The structure and energy of a generalized stacking fault was investigated by using a simulated annealing method, with a parameterized tight-binding potential. It was shown that the second-layer spacing from the stacking-fault contracted, with variation of the stacking-fault variable from 0 to 1, and the effect of atom relaxation upon stacking-fault energy was obvious. The calculated stacking-fault energy agreed with experimental results.

How to Affect Stacking Fault Energy and Structure by Atom Relaxation. J.Cai, C.Lu, P.H.Yap, Y.Y.Wang: Applied Physics Letters, 2002, 81[19], 3543-5